CID 207505

O-methoxyphenyl 2-propylvalerate

Structural Information

Molecular Formula
C15H22O3
SMILES
CCCC(CCC)C(=O)OC1=CC=CC=C1OC
InChI
InChI=1S/C15H22O3/c1-4-8-12(9-5-2)15(16)18-14-11-7-6-10-13(14)17-3/h6-7,10-12H,4-5,8-9H2,1-3H3
InChIKey
SDHKUHUVCAPACE-UHFFFAOYSA-N
Compound name
(2-methoxyphenyl) 2-propylpentanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

250.15689 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.16417 160.2
[M+Na]+ 273.14611 165.8
[M-H]- 249.14961 163.3
[M+NH4]+ 268.19071 177.5
[M+K]+ 289.12005 164.4
[M+H-H2O]+ 233.15415 153.5
[M+HCOO]- 295.15509 181.7
[M+CH3COO]- 309.17074 196.7
[M+Na-2H]- 271.13156 162.0
[M]+ 250.15634 165.0
[M]- 250.15744 165.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.